3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide

C19H22ClN3O2 — CID 24953429

IUPAC3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
SMILESCC(C)(CO)NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1C1CCC2C1
InChIInChI=1S/C19H22ClN3O2/c1-19(2,10-24)21-18(25)16-15-11-3-4-12(9-11)17(15)23(22-16)14-7-5-13(20)6-8-14/h5-8,11-12,24H,3-4,9-10H2,1-2H3,(H,21,25)
InChIKeyONXVTPOVOMMROX-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.39
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide

3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide (PubChem CID 24953429) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
PubChem CID24953429
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
SMILESCC(C)(CO)NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1C1CCC2C1
InChIInChI=1S/C19H22ClN3O2/c1-19(2,10-24)21-18(25)16-15-11-3-4-12(9-11)17(15)23(22-16)14-7-5-13(20)6-8-14/h5-8,11-12,24H,3-4,9-10H2,1-2H3,(H,21,25)
InChIKeyONXVTPOVOMMROX-UHFFFAOYSA-N
XLogP3.39
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide (CID 24953429) is 3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide is CC(C)(CO)NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1C1CCC2C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide?
The InChIKey is ONXVTPOVOMMROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-19(2,10-24)21-18(25)16-15-11-3-4-12(9-11)17(15)23(22-16)14-7-5-13(20)6-8-14/h5-8,11-12,24H,3-4,9-10H2,1-2H3,(H,21,25).
What are the key properties of 3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide?
3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide is sourced from PubChem (CID 24953429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).